论文信息 - Classical trajectory approach to photodissociation: The Wigner method

Classical trajectory approach to photodissociation: The Wigner method

A time‐dependent semiclassical method for generating energy‐dependent photodissociation partial cross sections is presented. The method is based on the Wigner equivalent formulation of quantum mechanics with the semiclassical limit arising from one dynamical approximation: the replacement of the quantum Liouville operator by its h/→0 limit. The results of the present scheme for the collinear dissociation of ICN on a single dissociative surface are compared to those obtained from a distorted‐wave analysis and a semiclassical wave packet propagation. A model calculation employing standard trajectory techniques indicates that the present method has several distinct advantages over the traditional quasiclassical approach.

E. Heller | Robert C. Brown | R. C. Brown

[1] M. Scully,et al. A new approach to molecular collisions: Statistical quasiclassical method , 1980 .

[2] M. Elert,et al. Photodissociation dynamics of small polyatomics: Isolated molecule behavior and collision induced effects , 1978 .

[3] J. Jortner,et al. Absorption lineshapes for the photodissociation of polyatomic molecules , 1977 .

[4] S. Goursaud,et al. Energy partitioning and isotope effects in the fragmentation of triatomic negative ions: Monte Carlo scheme for a classical trajectory study , 1976 .

[5] Eric J. Heller,et al. Wigner phase space method: Analysis for semiclassical applications , 1976 .

[6] Irene A. Stegun,et al. Handbook of Mathematical Functions. , 1966 .

[7] T. Takabayasi. The Formulation of Quantum Mechanics in terms of Ensemble in Phase Space , 1954 .

[8] J. E. Moyal. Quantum mechanics as a statistical theory , 1949, Mathematical Proceedings of the Cambridge Philosophical Society.

[9] E. Wigner. On the quantum correction for thermodynamic equilibrium , 1932 .